Molecule

ID:58583

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-13(4,7-9-14)10(15)17-5/h6-9H2,1-5H3
InChIKey
SNBGURLVYHVYEB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(C)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CCC1(C)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8653336
LogD (pH = 7.4)
1.8653336
Log P
1.8653336
Molar Refractivity
67.3405
Polarizability
26.655312
Polar Surface Area
55.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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